1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid

C13H25N3O4S — CID 79573490

IUPAC1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)N1CCN(CCC2CCCC2(N)C(=O)O)CC1
InChIInChI=1S/C13H25N3O4S/c1-21(19,20)16-9-7-15(8-10-16)6-4-11-3-2-5-13(11,14)12(17)18/h11H,2-10,14H2,1H3,(H,17,18)
InChIKeyVGILRSYFUKNQQS-UHFFFAOYSA-N
MW319.43 g/mol
LogP-0.46
Rot. Bonds5

About 1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid

1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79573490) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79573490
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)N1CCN(CCC2CCCC2(N)C(=O)O)CC1
InChIInChI=1S/C13H25N3O4S/c1-21(19,20)16-9-7-15(8-10-16)6-4-11-3-2-5-13(11,14)12(17)18/h11H,2-10,14H2,1H3,(H,17,18)
InChIKeyVGILRSYFUKNQQS-UHFFFAOYSA-N
XLogP-0.46
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79570983
1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide
CID 79563996
methyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
CID 115561597
1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid
CID 79588183
1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid
CID 79588358
ethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
CID 115561544
1-amino-2-propylcyclohexane-1-carboxylic acid
CID 121281708
1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 64682054
1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine
CID 66472524
1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 63003828
1-amino-2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79564009
1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79571562

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid (CID 79573490) is 1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid is CS(=O)(=O)N1CCN(CCC2CCCC2(N)C(=O)O)CC1.
What is the InChIKey of 1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is VGILRSYFUKNQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-21(19,20)16-9-7-15(8-10-16)6-4-11-3-2-5-13(11,14)12(17)18/h11H,2-10,14H2,1H3,(H,17,18).
What are the key properties of 1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid?
1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 319.43 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79573490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).